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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:41 UTC
Update Date2025-03-25 00:46:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157328
Frequency0.5
Structure
Chemical FormulaC11H17O13P
Molecular Mass388.0407
SMILESO=C1OC(COP(=O)(O)OCC2OC(=O)C(O)C(O)C2O)C(O)C1O
InChI KeyNCMDWZJWTQGKIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent hexose phosphates
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • delta valerolactones
  • dialkyl phosphates
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • gluconolactones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • delta valerolactone
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • gluconolactone
  • aliphatic heteromonocyclic compound
  • oxane
  • delta_valerolactone
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • dialkyl phosphate
  • phosphoric acid ester
  • carboxylic acid ester
  • secondary alcohol
  • hexose phosphate
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • alkyl phosphate